N-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide

C16H27N3O2 — CID 50952353

IUPACN-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide
SMILESCC(c1ccon1)N(C)CCC(=O)NC1CCCCCC1
InChIInChI=1S/C16H27N3O2/c1-13(15-10-12-21-18-15)19(2)11-9-16(20)17-14-7-5-3-4-6-8-14/h10,12-14H,3-9,11H2,1-2H3,(H,17,20)
InChIKeyWKPVDYBPISYPHQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.90
Rot. Bonds6

About N-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide

N-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide (PubChem CID 50952353) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide
PubChem CID50952353
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide
SMILESCC(c1ccon1)N(C)CCC(=O)NC1CCCCCC1
InChIInChI=1S/C16H27N3O2/c1-13(15-10-12-21-18-15)19(2)11-9-16(20)17-14-7-5-3-4-6-8-14/h10,12-14H,3-9,11H2,1-2H3,(H,17,20)
InChIKeyWKPVDYBPISYPHQ-UHFFFAOYSA-N
XLogP2.90
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide?
The IUPAC name of N-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide (CID 50952353) is N-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide?
The canonical SMILES for N-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide is CC(c1ccon1)N(C)CCC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide?
The InChIKey is WKPVDYBPISYPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(15-10-12-21-18-15)19(2)11-9-16(20)17-14-7-5-3-4-6-8-14/h10,12-14H,3-9,11H2,1-2H3,(H,17,20).
What are the key properties of N-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide?
N-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide is sourced from PubChem (CID 50952353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).